U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C23H33NO6
Molecular Weight 419.5112
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-((((1-(2-(Benzyloxy)-2-oxoethyl)cyclohexyl)methyl)carbamoyl)oxy)ethyl Isobutyrate

SMILES

CC(C)C(=O)OC(C)OC(=O)NCC2(CC(=O)OCC1=CC=CC=C1)CCCCC2

InChI

InChIKey=OQGWQEWCJNRNAP-UHFFFAOYSA-N
InChI=1S/C23H33NO6/c1-17(2)21(26)29-18(3)30-22(27)24-16-23(12-8-5-9-13-23)14-20(25)28-15-19-10-6-4-7-11-19/h4,6-7,10-11,17-18H,5,8-9,12-16H2,1-3H3,(H,24,27)

HIDE SMILES / InChI

Approval Year

Name Type Language
Cyclohexaneacetic acid, 1-[[[[1-(2-methyl-1-oxopropoxy)ethoxy]carbonyl]amino]methyl]-, phenylmethyl ester
Preferred Name English
1-((((1-(2-(Benzyloxy)-2-oxoethyl)cyclohexyl)methyl)carbamoyl)oxy)ethyl Isobutyrate
Systematic Name English
Phenylmethyl 1-[[[[1-(2-methyl-1-oxopropoxy)ethoxy]carbonyl]amino]methyl]cyclohexaneacetate
Systematic Name English
Code System Code Type Description
PUBCHEM
10025084
Created by admin on Wed Apr 02 21:17:23 GMT 2025 , Edited by admin on Wed Apr 02 21:17:23 GMT 2025
PRIMARY
CAS
649747-98-8
Created by admin on Wed Apr 02 21:17:23 GMT 2025 , Edited by admin on Wed Apr 02 21:17:23 GMT 2025
PRIMARY
FDA UNII
S62E6PTF3K
Created by admin on Wed Apr 02 21:17:23 GMT 2025 , Edited by admin on Wed Apr 02 21:17:23 GMT 2025
PRIMARY